SCHEMBL4063047

SCHEMBL4063047

OC1=CC=C2CCCCC2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19629456 0.73
SCHEMBL13291676 0.68
SCHEMBL5597260 0.68
SCHEMBL16316762 0.67
SCHEMBL10714902 0.67 MAPT (0.32)
SCHEMBL122551 0.67
SCHEMBL1052040 0.65 KDM1A (0.31)
SCHEMBL122334 0.65
SCHEMBL1052042 0.65 KDM1A (0.31)
SCHEMBL6015270 0.65 KDM1A (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed